CID 15727328

15753-48-7

Structural Information

Molecular Formula
C7H14O2
SMILES
C1C[C@H](C[C@H](C1)O)CO
InChI
InChI=1S/C7H14O2/c8-5-6-2-1-3-7(9)4-6/h6-9H,1-5H2/t6-,7+/m1/s1
InChIKey
PFXRPUFYSLHDMF-RQJHMYQMSA-N
Compound name
(1S,3R)-3-(hydroxymethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

130.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.9
[M+Na]+ 153.08860 133.0
[M-H]- 129.09210 128.2
[M+NH4]+ 148.13320 148.5
[M+K]+ 169.06254 131.5
[M+H-H2O]+ 113.09664 123.2
[M+HCOO]- 175.09758 146.1
[M+CH3COO]- 189.11323 166.2
[M+Na-2H]- 151.07405 132.4
[M]+ 130.09883 122.2
[M]- 130.09993 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe